[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol

C14H20ClNO — CID 114845335

IUPAC[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
SMILESCCC1CCN(c2cc(Cl)ccc2CO)CC1
InChIInChI=1S/C14H20ClNO/c1-2-11-5-7-16(8-6-11)14-9-13(15)4-3-12(14)10-17/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyYQZLWNWZLYQFRW-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.46
Rot. Bonds3

About [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol

[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol (PubChem CID 114845335) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
PubChem CID114845335
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
SMILESCCC1CCN(c2cc(Cl)ccc2CO)CC1
InChIInChI=1S/C14H20ClNO/c1-2-11-5-7-16(8-6-11)14-9-13(15)4-3-12(14)10-17/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyYQZLWNWZLYQFRW-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[4-[5-chloro-2-(hydroxymethyl)phenyl]piperazin-1-yl]ethanone
CID 114845158
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
[4-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218548
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol (CID 114845335) is [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol is CCC1CCN(c2cc(Cl)ccc2CO)CC1.
What is the InChIKey of [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol?
The InChIKey is YQZLWNWZLYQFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-11-5-7-16(8-6-11)14-9-13(15)4-3-12(14)10-17/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol?
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol has a molecular weight of 253.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114845335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).